3-Methylbutanoic Acid
Representations & DB's id
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| ChEBI: | CHEBI:28484 | |
|---|---|---|
| ChEMBL: | CHEMBL568737 | |
| PubChem: | 10430 | |
| IUPAC: | 3-methylbutanoic acid | |
| Standard InChI: | InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7) | |
| Standard InChI Key: | GWYFCOCPABKNJV-UHFFFAOYSA-N | |
| SMILES: | CC(CC(=O)O)C | |
Molecular propeties
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| AlogP: | 1.12 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 0 | |
| Molecular Weight: | 102.07 | |
| Topological polar surface area: | 37.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.8 | |
| Number of carbons: | 5 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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